%chk=000115182.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115182

0 1
 O  -0.8043000      -2.565500      -1.646900    
 O   0.6295000      -1.771500       2.087800    
 O   0.1453000       1.748600      -1.172600    
 O   -1.966300      -1.389700       1.562700    
 O  -0.2123000     -0.2937000      -3.128400    
 O    3.072100     -0.5509000       1.267300    
 O   -2.597100      -3.122900     -0.3741000    
 O   -1.418200       1.817600       1.172700    
 O    4.882900       2.387800      -1.041100    
 O    5.119600      -1.206200       2.005000    
 C   0.3753000      -1.373300      0.7539000    
 C   5.2999999E-02  0.3892000     -0.7816000    
 C   0.8285000      8.9900002E-02  0.5214000    
 C   -1.153300      -1.330300      0.4057000    
 C   -1.379400     -1.9000000E-03 -0.3669000    
 C   0.5590000     -0.5104000      -1.948300    
 C    1.102000      -2.309800     -0.2277000    
 C   0.5413000      -2.021400      -1.614300    
 C   -1.591900      -2.441300     -0.5399000    
 C    2.307000      0.3256000      0.4588000    
 C   -2.065000       1.062600      0.4504000    
 C    2.887400       1.274300     -0.2872000    
 C   -3.547600       1.192600      0.3734000    
 C    4.318000       1.401300     -0.2628000    
 C    4.437500     -0.4579000       1.312900    
 C   -4.298100      6.6500001E-02  0.1182000    
 C   -4.113000       2.434500      0.5601000    
 C    5.069700      0.5912000      0.4880000    
 C   -5.685700      0.1883000      4.5899998E-02
 C   -5.500700       2.556300      0.4879000    
 C   -6.287000       1.433200      0.2307000    
 C    6.292000       2.387100     -0.9112000    
 H   0.5046000      0.7008000       1.370000    
 H   -1.977000     -0.1269000      -1.279700    
 H    1.582800     -0.2184000      -2.206200    
 H   0.9100000      -3.353000      5.7799999E-02
 H    2.188900      -2.204000     -0.2163000    
 H    1.099500      -2.577500      -2.375100    
 H    1.592100      -1.779000       2.222800    
 H  -0.4178000       1.868600      -1.956300    
 H   -1.708100      -2.182200       2.063800    
 H   0.1488000     -0.8681000      -3.825000    
 H    2.360300       1.983600     -0.9063000    
 H   -3.877100     -0.9152000     -3.6800001E-02
 H   -3.512200       3.317400      0.7558000    
 H    6.148200      0.6010000      0.5785000    
 H   -6.298500     -0.6856000     -0.1558000    
 H   -5.969000       3.525900      0.6304000    
 H   -7.367400       1.528300      0.1737000    
 H    6.664600       3.192700      -1.554900    
 H    6.752300       1.469300      -1.297000    
 H    6.624000       2.646300      0.1015000    


%chk=000115182-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115182

0 1
O -0.888591 -2.676120 -1.761254
O 0.635892 -1.848511 2.014570
O 0.158975 1.682252 -1.410535
O -1.850949 -1.409616 1.615689
O -0.294135 -0.355772 -3.295790
O 3.000198 -0.459298 1.321359
O -2.662372 -3.212018 -0.402834
O -1.374692 1.740399 1.213144
O 5.058213 2.307245 -1.022825
O 4.899965 -1.061772 2.511612
C 0.453417 -1.430337 0.636206
C 0.044890 0.312421 -0.936013
C 0.875602 0.046303 0.346873
C -1.129524 -1.410338 0.377851
C -1.388886 -0.073014 -0.445570
C 0.509715 -0.629134 -2.098369
C 1.125294 -2.396576 -0.359069
C 0.516874 -2.133133 -1.742275
C -1.629862 -2.547696 -0.545886
C 2.357746 0.297875 0.335043
C -2.061990 1.000278 0.453353
C 3.053610 1.202694 -0.427228
C -3.545283 1.154961 0.364144
C 4.468864 1.367820 -0.198229
C 4.466169 -0.327160 1.606603
C -4.396061 0.103469 -0.072028
C -4.115966 2.390214 0.778089
C 5.145220 0.633877 0.777629
C -5.793962 0.291767 -0.099595
C -5.510209 2.580605 0.732274
C -6.353181 1.531008 0.291191
C 6.497547 2.577945 -0.858484
H 0.432622 0.698082 1.131962
H -2.052341 -0.254346 -1.308257
H 1.539625 -0.330113 -2.365169
H 0.928517 -3.441819 -0.061898
H 2.219034 -2.251535 -0.371784
H 1.014302 -2.700783 -2.544280
H 1.554161 -1.594493 2.302220
H -0.227917 1.693291 -2.328390
H -1.192927 -1.666576 2.327799
H -1.044905 -1.006513 -3.326550
H 2.526001 1.816426 -1.159032
H -3.987369 -0.878489 -0.332943
H -3.445662 3.180986 1.130589
H 6.213166 0.748775 0.970843
H -6.445830 -0.529586 -0.415306
H -5.942956 3.538274 1.041289
H -7.438964 1.675848 0.260386
H 6.724392 3.350983 -1.605337
H 7.093144 1.668343 -1.059087
H 6.710577 2.956509 0.158002


